loader
Please Wait
Applying Filters...

EuroAPI Header EuroAPI Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Esmethadone Hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Esmethadone Hydrochloride

    DEVELOPMENTS

    PharmaCompass

    With Fermion, start the journey of your innovative API.

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

    2D Structure
    1. Also known as: D-methadone hydrochloride, Dextromethadone hydrochloride, 15284-15-8, 1q1yxa5gyg, Esmethadone hydrochloride [usan], 3-heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride, (s)-
    Molecular Formula
    C21H28ClNO
    Molecular Weight
    345.9  g/mol
    InChI Key
    FJQXCDYVZAHXNS-LMOVPXPDSA-N
    FDA UNII
    1Q1YXA5GYG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H/t17-;/m0./s1
    2.1.3 InChI Key
    FJQXCDYVZAHXNS-LMOVPXPDSA-N
    2.1.4 Canonical SMILES
    CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl
    2.1.5 Isomeric SMILES
    CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    1Q1YXA5GYG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. D-methadone Hydrochloride

    2. Dextromethadone Hydrochloride

    3. 15284-15-8

    4. 1q1yxa5gyg

    5. Esmethadone Hydrochloride [usan]

    6. 3-heptanone, 6-(dimethylamino)-4,4-diphenyl-, Hydrochloride, (s)-

    7. (s)-methadone Hydrochloride

    8. D-amidone Hydrochloride

    9. D-dolophine Hydrochloride

    10. S-methadone Hydrochloride

    11. Unii-1q1yxa5gyg

    12. Esmethadone Hydrochloride

    13. Schembl6055296

    14. Rel-1017 Hydrochloride

    15. Methadone Hydrochloride, (s)-

    16. J-501701

    17. (6s)-6-(dimethylamino)-4,4-diphenyl-3-heptanone Hcl

    18. (r)-dimethyl(1-methyl-4-oxo-3,3-diphenylhexyl)ammoniumchloride

    19. 3-heptanone, 6-(dimethylamino)-4,4-diphenyl-, Hydrochloride, (6s)-

    20. (6s)-6-(dimethylamino)-4,4-diphenylheptan-3-one, Hydrochloride (1:1)

    21. 3-heptanone, 6-(dimethylamino)-4,4-diphenyl-, Hydrochloride (1:1), (6s)-

    22. 1082648-41-6

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 345.9 g/mol
    Molecular Formula C21H28ClNO
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count7
    Exact Mass345.1859422 g/mol
    Monoisotopic Mass345.1859422 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity346
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    Post Enquiry
    POST ENQUIRY